N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide

C15H16ClN3O2 — CID 86815974

IUPACN-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cn[nH]c1C1CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-2-1-3-12(8-11)21-7-6-17-15(20)13-9-18-19-14(13)10-4-5-10/h1-3,8-10H,4-7H2,(H,17,20)(H,18,19)
InChIKeyULUBUCXMSGJFRV-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide

N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide (PubChem CID 86815974) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
PubChem CID86815974
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide
SMILESO=C(NCCOc1cccc(Cl)c1)c1cn[nH]c1C1CC1
InChIInChI=1S/C15H16ClN3O2/c16-11-2-1-3-12(8-11)21-7-6-17-15(20)13-9-18-19-14(13)10-4-5-10/h1-3,8-10H,4-7H2,(H,17,20)(H,18,19)
InChIKeyULUBUCXMSGJFRV-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
5-amino-N-[2-(3-chlorophenoxy)ethyl]-1-(1H-indazol-5-ylmethyl)pyrazole-4-carboxamide
CID 121364657
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(3-methoxyphenoxy)ethyl]pyrazole-4-carboxamide
CID 55609258
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-5-cyclohexyl-1H-pyrazole-4-carboxamide
CID 171539997
N-[2-(3-chlorophenoxy)ethyl]-4-(trifluoromethyl)quinoline-3-carboxamide
CID 78889390
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55743110
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide (CID 86815974) is N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide is O=C(NCCOc1cccc(Cl)c1)c1cn[nH]c1C1CC1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide?
The InChIKey is ULUBUCXMSGJFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-2-1-3-12(8-11)21-7-6-17-15(20)13-9-18-19-14(13)10-4-5-10/h1-3,8-10H,4-7H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-5-cyclopropyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86815974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).